N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

InChI

InChI=1S/C19H29N3O3S/c1-4-5-6-7-8-12-16(23)20-19(26)22-21-17(24)13-25-18-14(2)10-9-11-15(18)3/h9-11H,4-8,12-13H2,1-3H3,(H,21,24)(H2,20,22,23,26)